2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid

C11H10N2O5S — CID 66156725

IUPAC2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
SMILESCOCc1cc(C(=O)Nc2sccc2C(=O)O)no1
InChIInChI=1S/C11H10N2O5S/c1-17-5-6-4-8(13-18-6)9(14)12-10-7(11(15)16)2-3-19-10/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyNYZCAXGLASUAJT-UHFFFAOYSA-N
MW282.28 g/mol
LogP1.83
Rot. Bonds5

About 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid

2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid (PubChem CID 66156725) has the molecular formula C11H10N2O5S and a molecular weight of 282.28 g/mol. Its IUPAC name is 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
PubChem CID66156725
Molecular FormulaC11H10N2O5S
Molecular Weight282.28 g/mol
Exact Mass282.03
IUPAC Name2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid
SMILESCOCc1cc(C(=O)Nc2sccc2C(=O)O)no1
InChIInChI=1S/C11H10N2O5S/c1-17-5-6-4-8(13-18-6)9(14)12-10-7(11(15)16)2-3-19-10/h2-4H,5H2,1H3,(H,12,14)(H,15,16)
InChIKeyNYZCAXGLASUAJT-UHFFFAOYSA-N
XLogP1.83
TPSA101.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.28
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-2-carboxylic acid
CID 66156920
3-chloro-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]benzoic acid
CID 107047018
methyl N-[2-[(5-methyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 16953741
2-[(2-methoxyacetyl)amino]thiophene-3-carboxylic acid
CID 16772284
3-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66158499
N-(4-bromophenyl)-5-(methoxymethyl)-1,2-oxazole-3-carboxamide
CID 66158532
2-[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]thiophene-3-carboxylic acid
CID 55176740
5-(methoxymethyl)-N-(3-oxobutan-2-yl)-1,2-oxazole-3-carboxamide
CID 66157357
methyl 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]propanoate
CID 66156389
4-methoxy-2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]butanoic acid
CID 66157132
4-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]pentanoic acid
CID 66157136
2-[(2-thiophen-3-yl-1,3-thiazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 43357379

Frequently Asked Questions

What is the IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid?
The IUPAC name of 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid (CID 66156725) is 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid is COCc1cc(C(=O)Nc2sccc2C(=O)O)no1.
What is the InChIKey of 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid?
The InChIKey is NYZCAXGLASUAJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N2O5S/c1-17-5-6-4-8(13-18-6)9(14)12-10-7(11(15)16)2-3-19-10/h2-4H,5H2,1H3,(H,12,14)(H,15,16).
What are the key properties of 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid?
2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid has a molecular weight of 282.28 g/mol, XLogP of 1.83, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-(methoxymethyl)-1,2-oxazole-3-carbonyl]amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 66156725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).